2-(2,3-dimethoxyphenyl)-2-(3-ethylpiperidin-1-yl)ethanamine

C17H28N2O2 — CID 43584302

IUPAC2-(2,3-dimethoxyphenyl)-2-(3-ethylpiperidin-1-yl)ethanamine
SMILESCCC1CCCN(C(CN)c2cccc(OC)c2OC)C1
InChIInChI=1S/C17H28N2O2/c1-4-13-7-6-10-19(12-13)15(11-18)14-8-5-9-16(20-2)17(14)21-3/h5,8-9,13,15H,4,6-7,10-12,18H2,1-3H3
InChIKeyMATJUEXZTQRTJJ-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.83
Rot. Bonds6

About 2-(2,3-dimethoxyphenyl)-2-(3-ethylpiperidin-1-yl)ethanamine

2-(2,3-dimethoxyphenyl)-2-(3-ethylpiperidin-1-yl)ethanamine (PubChem CID 43584302) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenyl)-2-(3-ethylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenyl)-2-(3-ethylpiperidin-1-yl)ethanamine
PubChem CID43584302
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-(2,3-dimethoxyphenyl)-2-(3-ethylpiperidin-1-yl)ethanamine
SMILESCCC1CCCN(C(CN)c2cccc(OC)c2OC)C1
InChIInChI=1S/C17H28N2O2/c1-4-13-7-6-10-19(12-13)15(11-18)14-8-5-9-16(20-2)17(14)21-3/h5,8-9,13,15H,4,6-7,10-12,18H2,1-3H3
InChIKeyMATJUEXZTQRTJJ-UHFFFAOYSA-N
XLogP2.83
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenyl)-2-(3-ethylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(2,3-dimethoxyphenyl)-2-(3-ethylpiperidin-1-yl)ethanamine (CID 43584302) is 2-(2,3-dimethoxyphenyl)-2-(3-ethylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(2,3-dimethoxyphenyl)-2-(3-ethylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(2,3-dimethoxyphenyl)-2-(3-ethylpiperidin-1-yl)ethanamine is CCC1CCCN(C(CN)c2cccc(OC)c2OC)C1.
What is the InChIKey of 2-(2,3-dimethoxyphenyl)-2-(3-ethylpiperidin-1-yl)ethanamine?
The InChIKey is MATJUEXZTQRTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-13-7-6-10-19(12-13)15(11-18)14-8-5-9-16(20-2)17(14)21-3/h5,8-9,13,15H,4,6-7,10-12,18H2,1-3H3.
What are the key properties of 2-(2,3-dimethoxyphenyl)-2-(3-ethylpiperidin-1-yl)ethanamine?
2-(2,3-dimethoxyphenyl)-2-(3-ethylpiperidin-1-yl)ethanamine has a molecular weight of 292.42 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxyphenyl)-2-(3-ethylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 43584302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).